Receptor
PDB id Resolution Class Description Source Keywords
5JM1 1.95 Å NON-ENZYME: BINDING STRUCTURE OF TETRAMERIC JACALIN COMPLEXED WITH A TRISACCHARI ALPHA-(1,3) GAL BETA-(1,4) GAL ARTOCARPUS INTEGER PLANT LECTINS SUGAR BINDING PROTEIN GALACTOSE SPECIFIC LECBETA-PRISM I FOLD POST TRANSLATIONAL PROTEOLYSIS T-ANTIGEPROTEIN REDUCING NON-REDUCING SUGARS
Ref.: EFFECT OF LINKAGE ON THE LOCATION OF REDUCING AND NONREDUCING SUGARS BOUND TO JACALIN. IUBMB LIFE V. 68 971 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG C:202;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
EDO G:203;
A:203;
D:101;
A:202;
G:201;
A:201;
G:202;
G:204;
C:201;
E:201;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GLA GAL GAL E:202;
Valid;
none;
submit data
504.438 n/a O(C1O...
AMG G:205;
Valid;
none;
submit data
194.182 C7 H14 O6 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UGX 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- ME-ALPHA-T-ANTIGEN (GAL-BETA(1 GALNAC-ALPHA-O-ME) COMPLEX ARTOCARPUS INTEGER ALL BETA SHEET PROTEIN BETA-PRISM I FOLD GALACTOSE-SPECIFIBINDING PROTEIN
Ref.: STRUCTURAL BASIS OF THE CARBOHYDRATE SPECIFICITIES JACALIN: AN X-RAY AND MODELING STUDY J.MOL.BIOL. V. 332 217 2003
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
2 5J4X - GAL MBG n/a n/a
3 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
4 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
5 5JM1 - GLA GAL GAL n/a n/a
6 5J51 - GLA GLA n/a n/a
7 5J4T - NAG MBG n/a n/a
8 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
9 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
10 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
11 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
2 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
3 5J4X - GAL MBG n/a n/a
4 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
5 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
6 5JM1 - GLA GAL GAL n/a n/a
7 5J51 - GLA GLA n/a n/a
8 5J4T - NAG MBG n/a n/a
9 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
10 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
11 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
12 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
13 4AKC - GAL A2G n/a n/a
14 4AKB - GAL C6 H12 O6 C([C@@H]1[....
15 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
16 1JOT - GAL A2G n/a n/a
17 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
18 1M26 - GAL A2G n/a n/a
19 1TOQ - AMG C7 H14 O6 CO[C@@H]1[....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3LLZ Kd = 16 uM GAL NGA n/a n/a
2 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
3 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
4 5J4X - GAL MBG n/a n/a
5 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
6 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
7 5JM1 - GLA GAL GAL n/a n/a
8 5J51 - GLA GLA n/a n/a
9 5J4T - NAG MBG n/a n/a
10 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
11 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
12 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
13 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
14 4AKC - GAL A2G n/a n/a
15 4AKB - GAL C6 H12 O6 C([C@@H]1[....
16 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
17 1JOT - GAL A2G n/a n/a
18 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
19 1M26 - GAL A2G n/a n/a
20 1TOQ - AMG C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLA GAL GAL; Similar ligands found: 298
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GAL 1 1
2 GLA GAL BGC 1 1
3 BGC BGC BGC BGC 0.924528 1
4 BGC BGC BGC BGC BGC BGC BGC BGC 0.924528 1
5 MAL MAL 0.816327 0.970588
6 BGC BMA 0.816327 1
7 B2G 0.816327 1
8 N9S 0.816327 1
9 GLA GAL 0.816327 1
10 GLC BGC 0.816327 1
11 GLC GAL 0.816327 1
12 MAB 0.816327 1
13 BGC GAL 0.816327 1
14 CBK 0.816327 1
15 GAL BGC 0.816327 1
16 GLA GLA 0.816327 1
17 CBI 0.816327 1
18 GAL GLC 0.816327 1
19 BMA BMA 0.816327 1
20 BMA GAL 0.816327 1
21 LAT 0.816327 1
22 BGC GLC 0.816327 1
23 LBT 0.816327 1
24 MAL 0.816327 1
25 CTR 0.754717 1
26 BGC GLC GLC GLC GLC GLC GLC 0.754717 1
27 CEY 0.754717 1
28 CE8 0.754717 1
29 GLA GAL GLC 0.754717 1
30 GAL GAL GAL 0.754717 1
31 GLC GLC GLC GLC GLC 0.754717 1
32 MAN BMA BMA 0.754717 1
33 MTT 0.754717 1
34 GLC GLC GLC GLC GLC GLC GLC GLC 0.754717 1
35 BMA BMA BMA BMA BMA BMA 0.754717 1
36 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
37 BGC GLC GLC 0.754717 1
38 GLC BGC BGC BGC BGC 0.754717 1
39 MT7 0.754717 1
40 MLR 0.754717 1
41 GLC BGC BGC 0.754717 1
42 BMA BMA BMA 0.754717 1
43 BGC BGC BGC BGC BGC BGC 0.754717 1
44 BGC BGC BGC GLC 0.754717 1
45 B4G 0.754717 1
46 CEX 0.754717 1
47 CE6 0.754717 1
48 GLC GLC BGC 0.754717 1
49 CT3 0.754717 1
50 CE5 0.754717 1
51 BMA BMA BMA BMA BMA 0.754717 1
52 BGC GLC GLC GLC GLC 0.754717 1
53 GLC GLC GLC GLC GLC GLC GLC 0.754717 1
54 GLC GLC BGC GLC GLC GLC GLC 0.754717 1
55 MAN MAN BMA BMA BMA BMA 0.754717 1
56 BMA MAN BMA 0.754717 1
57 GLC BGC BGC BGC BGC BGC 0.754717 1
58 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.754717 1
59 BGC GLC GLC GLC 0.754717 1
60 CTT 0.754717 1
61 MAN BMA BMA BMA BMA 0.754717 1
62 GLC GAL GAL 0.754717 1
63 DXI 0.754717 1
64 GLC BGC GLC 0.754717 1
65 GAL NAG GAL BGC 0.716418 0.733333
66 BGC GAL NAG GAL 0.716418 0.733333
67 LAT NAG GAL 0.716418 0.733333
68 GLC BGC BGC BGC BGC BGC BGC 0.709091 1
69 BGC BGC BGC 0.709091 1
70 BGC BGC BGC ASO BGC BGC ASO 0.709091 1
71 BGC BGC BGC BGC BGC 0.709091 1
72 GLC BGC BGC BGC 0.709091 1
73 BGC BGC BGC GLC BGC BGC 0.709091 1
74 MAN BMA BMA BMA BMA BMA 0.701754 0.970588
75 BMA BMA BMA BMA BMA BMA MAN 0.701754 0.970588
76 GLC GAL NAG GAL 0.695652 0.733333
77 GAL NGA GLA BGC GAL 0.676056 0.733333
78 BGC BGC GLC 0.672414 1
79 NAG GAL BGC 0.661765 0.733333
80 NGA GLA GAL BGC 0.638889 0.733333
81 MAN BMA NAG 0.636364 0.733333
82 NAG GAL GAL 0.636364 0.733333
83 GLA GAL NAG 0.636364 0.733333
84 MAN GLC 0.618182 1
85 M3M 0.618182 1
86 LB2 0.618182 1
87 SGA BGC 0.616667 0.702128
88 MAN MAN MAN GLC 0.609375 1
89 BMA BMA GLA BMA BMA 0.597015 1
90 5GO 0.596774 0.66
91 M13 0.596491 0.942857
92 GAL MBG 0.596491 0.942857
93 MDM 0.596491 0.942857
94 GLC GLC GLC BGC 0.58209 1
95 BGC GLA GAL FUC 0.577465 0.970588
96 LAT GLA 0.571429 1
97 GLA GAL NAG FUC GAL GLC 0.564706 0.717391
98 FUC GAL NAG GAL BGC 0.560976 0.717391
99 P3M 0.552239 0.767442
100 U63 0.55 0.891892
101 BMA BMA MAN 0.55 0.970588
102 NAG GAL GAL NAG GAL 0.546667 0.6875
103 NAG GAL GAL NAG 0.546667 0.6875
104 GAL NAG GAL NAG GAL NAG 0.546667 0.673469
105 BGC BGC 0.54386 1
106 MAN MAN 0.54386 1
107 2M4 0.54386 1
108 MMA MAN 0.542373 0.942857
109 DR5 0.542373 0.942857
110 GLA EGA 0.540984 0.942857
111 BGC GAL NAG GAL FUC FUC 0.534884 0.702128
112 GLC GAL NAG GAL FUC FUC 0.534884 0.702128
113 GLC GLC BGC XYS BGC XYS 0.533333 0.942857
114 BMA MAN MAN 0.53125 1
115 LAT FUC 0.529412 0.970588
116 FUC GAL GLC 0.529412 0.970588
117 GLC GAL FUC 0.529412 0.970588
118 GLC GLC GLC GLC GLC GLC 0.529412 1
119 BGC GAL FUC 0.529412 0.970588
120 FUC LAT 0.529412 0.970588
121 GAL FUC 0.52459 0.941176
122 MAN MAN BMA MAN 0.521739 1
123 MAN MAN MAN MAN 0.521739 1
124 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.519481 0.942857
125 BGC BGC BGC XYS GAL 0.519481 0.942857
126 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.519481 0.942857
127 BGC BGC BGC XYS BGC BGC 0.519481 0.942857
128 NGA GAL BGC 0.513889 0.733333
129 ABD 0.512821 0.75
130 BMA MAN 0.508197 0.914286
131 MAL EDO 0.507937 0.942857
132 GAL GAL SO4 0.507463 0.702128
133 GLC GAL NAG GAL FUC A2G 0.5 0.673469
134 GAL NDG 0.5 0.733333
135 A2G GAL NAG FUC GAL GLC 0.5 0.673469
136 NLC 0.5 0.733333
137 NDG GAL 0.5 0.733333
138 GLC GLC FRU 0.5 0.868421
139 GAL BGC BGC XYS 0.5 0.942857
140 MAN MAN MAN BMA MAN 0.493333 1
141 MAN BMA MAN MAN MAN 0.492958 1
142 M5S 0.492958 1
143 MVP 0.492308 0.733333
144 DEL 0.492063 0.970588
145 GLC G6D ACI GLC 0.487805 0.785714
146 GLC ACI G6D BGC 0.487805 0.785714
147 GLC ACI GLD GLC 0.487805 0.785714
148 GLC G6D ADH GLC 0.487805 0.785714
149 BGC BGC XYS BGC 0.486842 0.942857
150 NAG GAL NAG 0.486842 0.6875
151 GLC GLC XYP 0.485714 1
152 MAN MAN BMA 0.484375 1
153 FUC BGC GAL NAG GAL 0.482759 0.717391
154 NAG BMA MAN MAN MAN MAN 0.481928 0.733333
155 TRE 0.480769 1
156 G2F BGC BGC BGC BGC BGC 0.478261 0.868421
157 GLA GAL BGC 5VQ 0.477612 0.891892
158 NAG NAG BMA MAN 0.47619 0.634615
159 BGC BGC BGC XYS BGC XYS GAL 0.47619 0.942857
160 GAL BGC BGC BGC XYS BGC XYS 0.47619 0.942857
161 CGC 0.469697 0.941176
162 BGC BGC XYS BGC XYS BGC XYS 0.468354 0.942857
163 BGC BGC BGC XYS BGC XYS XYS 0.468354 0.942857
164 GLC BGC BGC XYS BGC XYS XYS 0.468354 0.942857
165 GLA MBG 0.466667 0.942857
166 GAL GAL GLC EMB MEC 0.465909 0.622642
167 GLC ACI GLD GAL 0.465116 0.733333
168 GLC GLC G6D ACI GLC GLC GLC 0.465116 0.785714
169 GLC ACI G6D GLC 0.465116 0.733333
170 GLC BGC BGC BGC XYS BGC XYS XYS 0.457831 0.916667
171 GLA GAL GLC NBU 0.457143 0.846154
172 MAN MMA MAN 0.457143 0.942857
173 FUC BGC GAL 0.457143 0.970588
174 GLC GLC GLC GLC 0.457143 1
175 4MU MAN MAN 0.45679 0.767442
176 BGC BGC ZZ1 0.45679 0.767442
177 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.454545 0.942857
178 GLC BGC BGC XYS BGC XYS XYS GAL 0.454545 0.942857
179 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.454545 0.942857
180 GLC AGL GLC HMC 0.454545 0.717391
181 GAL BGC BGC BGC XYS XYS 0.454545 0.942857
182 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.454545 0.942857
183 GLA MAN RAM ABE GLA MAN RAM ABE 0.450549 0.868421
184 GLA MAN RAM TYV GLA MAN RAM TYV 0.450549 0.868421
185 NAG NAG BMA MAN MAN 0.449438 0.6875
186 MAN MAN NAG MAN NAG 0.449438 0.6875
187 GAL NAG MAN 0.447368 0.733333
188 OPM MAN MAN 0.447368 0.804878
189 MAN NAG GAL 0.447368 0.733333
190 DMU 0.444444 0.785714
191 ARE 0.444444 0.733333
192 OXZ BGC BGC 0.444444 0.6875
193 G2I 0.444444 0.767442
194 GLC GLC DAF BGC 0.444444 0.733333
195 UMQ 0.444444 0.785714
196 GLC GLC AGL HMC GLC 0.444444 0.733333
197 GLC GLC ACI G6D GLC GLC 0.444444 0.733333
198 LMU 0.444444 0.785714
199 AAO 0.444444 0.733333
200 G3I 0.444444 0.767442
201 LMT 0.444444 0.785714
202 ACR GLC GLC GLC 0.444444 0.733333
203 GTM BGC BGC 0.44 0.868421
204 GLC GLC GLC G6D ADH GLC 0.43956 0.6875
205 SOR GLC GLC 0.438356 0.970588
206 DOM 0.4375 0.942857
207 A2G GAL BGC FUC 0.436782 0.717391
208 8VZ 0.434783 0.673469
209 GAL A2G 0.434783 0.733333
210 GAL NGA 0.434783 0.733333
211 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.434783 0.733333
212 A2G GAL 0.434783 0.733333
213 FMO 0.432836 0.868421
214 GLC GLC XYS 0.432432 0.970588
215 BGC BGC G2F SHG 0.43038 0.846154
216 FUC BGC GAL NAG 0.430233 0.717391
217 BGC SGC BGC SGC BGC SGC BGC SGC 0.428571 0.916667
218 TM6 0.428571 0.916667
219 SOR GLC GLC GLC 0.426667 0.970588
220 LAG 0.426667 0.6
221 6UZ 0.426667 0.846154
222 BMA NGT MAN MAN 0.425287 0.66
223 GAL BGC NAG GAL 0.425 0.733333
224 DAF BGC 0.425 0.785714
225 DAF GLC 0.425 0.785714
226 NOY BGC 0.424242 0.75
227 5QP 0.424242 0.885714
228 GLO GLC GLC 0.423077 0.942857
229 GLA MAN RAM RAM ABE MAN GLA 0.42268 0.868421
230 FUC GAL GLA 0.422535 0.970588
231 GLA GLA FUC 0.422535 0.970588
232 GLA GAL FUC 0.422535 0.970588
233 GAL GAL FUC 0.422535 0.970588
234 FUC GLA GLA 0.422535 0.970588
235 RZM 0.421875 0.688889
236 NAG MAN GAL BMA NDG MAN NAG GAL 0.421053 0.673469
237 MAN BMA NAG NAG MAN NAG GAL GAL 0.421053 0.673469
238 10M 0.421053 0.733333
239 NAG MAN MAN MAN NAG GAL NAG GAL 0.421053 0.673469
240 NAG MAN GAL BMA NAG MAN NAG GAL 0.421053 0.673469
241 MAN MAN MAN BMA MAN MAN MAN 0.418605 0.942857
242 SIA GAL NAG GAL BGC 0.418182 0.622642
243 SIA GAL NAG GAL GLC 0.418182 0.622642
244 BGC GAL NAG SIA GAL 0.418182 0.622642
245 MAN MNM 0.41791 0.75
246 BGC BGC SGC MGL 0.417722 0.868421
247 MGL SGC GLC GLC 0.417722 0.868421
248 GAC 0.416667 0.767442
249 DAF BGC GLC 0.416667 0.785714
250 ACI GLD GLC GAL 0.416667 0.785714
251 NAG BMA 0.416667 0.653061
252 DAF GLC GLC 0.416667 0.785714
253 TXT 0.416667 0.767442
254 NPJ 0.415584 0.622642
255 WZ3 0.415584 0.916667
256 GAL MGC 0.414286 0.702128
257 GLO GLC GLC GLC 0.4125 0.942857
258 GLC DMJ 0.411765 0.727273
259 NOJ GLC 0.411765 0.727273
260 SLT 0.410526 0.673469
261 M5G 0.41 0.6875
262 3SA 0.409639 0.733333
263 LSE 0.407895 0.6875
264 MLB 0.40625 1
265 GLA BGC 0.40625 1
266 GLA GLC 0.40625 1
267 BGC GLA 0.40625 1
268 GAL GAL 0.40625 1
269 GLA BMA 0.40625 1
270 LAK 0.40625 1
271 BMA GLA 0.40625 1
272 MAN BMA 0.40625 1
273 ABL 0.405797 0.702128
274 RCB 0.405063 0.622642
275 4MU BGC BGC 0.404762 0.767442
276 GLC GLC GLC PO4 SGC GLC 0.404494 0.673469
277 BMA FRU 0.402985 0.842105
278 FRU GAL 0.402985 0.842105
279 ACR 0.402299 0.733333
280 QPS 0.402299 0.733333
281 GAL BGC SIA 0.402062 0.66
282 GLA GLC SIA 0.402062 0.66
283 SIA GAL GLC 0.402062 0.66
284 BGC GAL SIA 0.402062 0.66
285 SIA GAL BGC 0.402062 0.66
286 BGC SIA GAL 0.402062 0.66
287 SIA BGC GAL 0.402062 0.66
288 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401961 0.6875
289 GAL NGA GAL BGC SIA 0.4 0.634615
290 SIA GAL BGC NGA GAL 0.4 0.634615
291 GAL NAG GAL FUC 0.4 0.717391
292 4MU BGC BGC BGC BGC 0.4 0.767442
293 BGC GAL SIA NGA GAL 0.4 0.634615
294 NAG MAN BMA NDG MAN NAG GAL 0.4 0.673469
295 GLA NAG GAL FUC 0.4 0.717391
296 GAL NGA SIA GAL BGC 0.4 0.634615
297 QV4 0.4 0.733333
298 CM5 0.4 0.891892
Ligand no: 2; Ligand: AMG; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 MBG 1 1
2 AMG 1 1
3 MMA 1 1
4 GYP 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 DR5 0.613636 0.914286
8 M13 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 XGP 0.512195 0.674419
15 M1P 0.512195 0.674419
16 G1P 0.512195 0.674419
17 GL1 0.512195 0.674419
18 DEG 0.488889 0.837838
19 BGC BGC 0.478261 0.857143
20 MAN MAN 0.478261 0.857143
21 2M4 0.478261 0.857143
22 WZ1 0.470588 0.842105
23 MAG 0.468085 0.727273
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 GLC SSG SGC SGC MA3 0.462963 0.842105
28 BGC SGC SGC GTM 0.462963 0.842105
29 BGC SSG SSG SGC MA3 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 JZR 0.458333 0.775
33 BHG 0.458333 0.775
34 HEX GLC 0.458333 0.775
35 GLC HEX 0.458333 0.775
36 SMD 0.45098 0.842105
37 2GS 0.45 1
38 KGM 0.44898 0.756098
39 B7G 0.44898 0.756098
40 LAT GLA 0.446809 0.857143
41 2M8 0.446809 0.882353
42 GTM BGC BGC 0.442623 0.842105
43 BOG 0.44 0.756098
44 GLC GLO 0.44 0.909091
45 HSJ 0.44 0.756098
46 BNG 0.44 0.756098
47 R1P 0.439024 0.6
48 GLA GAL 0.4375 0.857143
49 BGC GAL 0.4375 0.857143
50 GLC BGC 0.4375 0.857143
51 GLC GAL 0.4375 0.857143
52 BGC BMA 0.4375 0.857143
53 BMA BMA 0.4375 0.857143
54 EBQ 0.4375 0.810811
55 M3M 0.4375 0.857143
56 LB2 0.4375 0.857143
57 MAB 0.4375 0.857143
58 56N 0.4375 0.805556
59 EBG 0.4375 0.810811
60 CBK 0.4375 0.857143
61 LAT 0.4375 0.857143
62 GAL BGC 0.4375 0.857143
63 BMA GAL 0.4375 0.857143
64 MAL MAL 0.4375 0.833333
65 B2G 0.4375 0.857143
66 MAN GLC 0.4375 0.857143
67 N9S 0.4375 0.857143
68 GAL GLC 0.4375 0.857143
69 GLA GLA 0.4375 0.857143
70 LBT 0.4375 0.857143
71 CBI 0.4375 0.857143
72 BGC GLC 0.4375 0.857143
73 MAL 0.4375 0.857143
74 GAL FUC 0.431373 0.857143
75 BMA BMA MAN 0.431373 0.833333
76 A2G MBG 0.431034 0.680851
77 MBG A2G 0.431034 0.680851
78 GLA GLC 0.428571 0.857143
79 GLA BMA 0.428571 0.857143
80 MLB 0.428571 0.857143
81 MAN BMA 0.428571 0.857143
82 BMA GLA 0.428571 0.857143
83 GAL GAL 0.428571 0.857143
84 LAK 0.428571 0.857143
85 BGC GLA 0.428571 0.857143
86 GLA BGC 0.428571 0.857143
87 WZ2 0.42623 0.842105
88 GLA EGA 0.423077 0.861111
89 GAL PHB 0.423077 0.783784
90 RZM 0.42 0.666667
91 T6P 0.42 0.666667
92 MGL SGC GLC GLC 0.415385 0.842105
93 BGC BGC SGC MGL 0.415385 0.842105
94 VAM 0.415094 0.842105
95 MAN MAN BMA 0.415094 0.857143
96 NAG MBG 0.413793 0.680851
97 HNV 0.413793 0.842105
98 WZ3 0.412698 0.888889
99 MAN MAN MAN 0.411765 0.857143
100 SUC 0.411765 0.789474
101 SER MAN 0.411765 0.75
102 SWE 0.411765 0.789474
103 BMA MAN 0.411765 0.833333
104 DOM 0.411765 0.810811
105 GLC GLC GLC 0.411765 0.857143
106 MAN 7D1 0.411765 0.810811
107 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
108 GLC GLC GLC GLC BGC 0.411765 0.857143
109 GLC FRU 0.411765 0.789474
110 MFU 0.410256 0.727273
111 MFB 0.410256 0.727273
112 XLM 0.407407 0.888889
113 3X8 0.407407 0.763158
114 FK9 0.407407 0.756098
115 GLC GAL GAL 0.403846 0.857143
116 BMA BMA BMA 0.403846 0.857143
117 BGC GLC GLC 0.403846 0.857143
118 MAN BMA BMA BMA BMA 0.403846 0.857143
119 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
120 DXI 0.403846 0.857143
121 CTT 0.403846 0.857143
122 CTR 0.403846 0.857143
123 BGC GLC GLC GLC GLC 0.403846 0.857143
124 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
125 GLC GLC GLC GLC GLC 0.403846 0.857143
126 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
127 CE6 0.403846 0.857143
128 GLA GAL GLC 0.403846 0.857143
129 CE5 0.403846 0.857143
130 BGC BGC BGC GLC 0.403846 0.857143
131 BGC GLC GLC GLC 0.403846 0.857143
132 CE8 0.403846 0.857143
133 MAN BMA BMA 0.403846 0.857143
134 GLC BGC GLC 0.403846 0.857143
135 CT3 0.403846 0.857143
136 GLC GLC BGC GLC GLC GLC GLC 0.403846 0.857143
137 BMA BMA BMA BMA BMA 0.403846 0.857143
138 CEX 0.403846 0.857143
139 B4G 0.403846 0.857143
140 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
141 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
142 U63 0.403846 0.769231
143 MLR 0.403846 0.857143
144 CEY 0.403846 0.857143
145 GLC BGC BGC 0.403846 0.857143
146 GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
147 MT7 0.403846 0.857143
148 GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
149 GLC BGC BGC BGC BGC 0.403846 0.857143
150 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
151 MTT 0.403846 0.857143
152 BMA MAN BMA 0.403846 0.857143
153 GLC GLC BGC 0.403846 0.857143
154 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
155 GAL GAL GAL 0.403846 0.857143
156 GLC 7LQ 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UGX; Ligand: GAL MGC; Similar sites found: 279
This union binding pocket(no: 1) in the query (biounit: 1ugx.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.003298 0.48941 None
2 1VQ2 DDN 0.00001158 0.4867 None
3 4KCF AKM 0.0000112 0.47693 None
4 3ZZS TRP 0.000003289 0.47428 None
5 3ZZL TRP 0.00001459 0.46091 None
6 1Q3Q ANP 0.00009152 0.45389 None
7 2HMT NAI 0.00005791 0.45227 None
8 1O6B ADP 0.00005095 0.45063 None
9 4LBP 1WG 0.00001203 0.44734 None
10 2GJ3 FAD 0.000468 0.44281 None
11 2P4T NAP 0.00009917 0.42436 None
12 3F5O UOC COA 0.01703 0.41563 None
13 1QGQ UDP 0.01145 0.40023 None
14 1OD6 PNS 0.0001301 0.44428 1.50376
15 3DJL FAD 0.001736 0.42481 1.50376
16 2Q37 3AL 0.01676 0.41007 1.50376
17 3SHR CMP 0.01399 0.40015 1.50376
18 1RSD PSB 0.002962 0.44389 1.65289
19 1X1T NAD 0.00001044 0.49523 2.25564
20 1LO8 4CA 0.00002297 0.477 2.25564
21 1BDB NAD 0.00005171 0.47205 2.25564
22 1CFV E3G 0.0009473 0.40222 2.52101
23 3MB5 SAM 0.000001255 0.50697 3.00752
24 4Q0P 0MK 0.0001258 0.47094 3.00752
25 3CH5 GDP 0.0001482 0.42231 3.00752
26 2WIC GNP 0.00008193 0.41219 3.00752
27 2JEN GLC GLC XYS XYS 0.001076 0.40958 3.00752
28 3H86 AP5 0.001734 0.40458 3.00752
29 3S9K CIT 0.004392 0.49534 3.38983
30 4FR3 0V4 0.00000004674 0.57257 3.7594
31 4FR3 LYS ARG ARG LYS SEP VAL 0.00000005108 0.57128 3.7594
32 1GR0 NAD 0.000009213 0.49869 3.7594
33 3V91 UPG 0.000002272 0.49637 3.7594
34 1WVC CTP 0.0000262 0.48932 3.7594
35 1SAZ ACP 0.00003487 0.48081 3.7594
36 2E5V FAD 0.003236 0.47348 3.7594
37 2PN6 GLN 0.0001239 0.45939 3.7594
38 1GSA ADP 0.00003802 0.458 3.7594
39 1GSA GSH 0.00003608 0.45159 3.7594
40 4NVP 7CH 0.00004124 0.44166 3.7594
41 1N6B DMZ 0.0001145 0.43121 3.7594
42 2BW7 APC 0.0296 0.42508 3.7594
43 2BW7 ECS 0.02699 0.42508 3.7594
44 4IXW IXW 0.0054 0.4218 3.7594
45 1ONX ASP 0.0002002 0.41928 3.7594
46 4HPP GLU 0.0002771 0.41709 3.7594
47 1PN4 HDC 0.02017 0.41183 3.7594
48 3TWO NDP 0.03153 0.41092 3.7594
49 1F7K UMP 0.0001776 0.40975 3.7594
50 3NYQ MCA 0.03382 0.40615 3.7594
51 3NYQ AMP 0.03544 0.40615 3.7594
52 2YG3 FAD 0.04807 0.40568 3.7594
53 3LXI CAM 0.01321 0.40427 3.7594
54 4HZX G39 0.001302 0.40179 3.7594
55 1YBQ BDH 0.000973 0.40088 3.7594
56 2ZO9 MLI 0.000008892 0.52684 4.51128
57 1ZFJ IMP 0.00002182 0.49861 4.51128
58 1V5F TPP 0.0001646 0.485 4.51128
59 1V5F FAD 0.0001646 0.485 4.51128
60 2P2V CSF 0.000008322 0.48101 4.51128
61 1NVV GNP 0.00001704 0.47542 4.51128
62 1Z34 2FD 0.00002113 0.46931 4.51128
63 3QVL 5HY 0.00002719 0.46584 4.51128
64 1NVU GTP 0.0000341 0.46577 4.51128
65 2YYJ 4HP 0.0001176 0.46574 4.51128
66 2YYJ FAD 0.0001176 0.46574 4.51128
67 1I2B UPG 0.0004243 0.46335 4.51128
68 1I2B NAD 0.0004243 0.46335 4.51128
69 1I2B USQ 0.0004243 0.46335 4.51128
70 3F81 STT 0.005095 0.46032 4.51128
71 1PEA ACM 0.003744 0.45929 4.51128
72 1MVN PCO 0.00008617 0.45427 4.51128
73 4G87 UD1 0.0001649 0.43644 4.51128
74 1KW6 BPY 0.0004493 0.43484 4.51128
75 3M0J OAF 0.0001328 0.42069 4.51128
76 1WL4 COA 0.0004387 0.4206 4.51128
77 1JH7 UVC 0.0002954 0.4201 4.51128
78 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001093 0.41363 4.51128
79 3ITJ FAD 0.04855 0.411 4.51128
80 1V25 ANP 0.03445 0.40785 4.51128
81 1RM4 NDP 0.0000002467 0.53904 5.26316
82 2R0N TGC 0.00003511 0.50234 5.26316
83 1EDO NAP 0.00001251 0.49095 5.26316
84 2R0N FAD 0.00005063 0.47819 5.26316
85 4AF0 IMP 0.00001873 0.46764 5.26316
86 1G41 ADP 0.00003368 0.46594 5.26316
87 2BGM NAJ 0.00009621 0.45319 5.26316
88 2NZ2 CIR 0.00001121 0.44146 5.26316
89 1VCO GLN 0.00001419 0.43824 5.26316
90 4M6T SAM 0.000108 0.43328 5.26316
91 3L8W XAN 0.00061 0.42732 5.26316
92 2FH5 GTP 0.0002789 0.42666 5.26316
93 2BJF DXC 0.0002572 0.4255 5.26316
94 4AF0 MOA 0.00003831 0.42182 5.26316
95 4P87 4NP 0.00006649 0.42067 5.26316
96 3EJ0 11X 0.0000541 0.42044 5.26316
97 1OFH ADP 0.0001348 0.40914 5.26316
98 2ZMF CMP 0.01665 0.40522 5.26316
99 2BGM MAX 0.0001696 0.40381 5.26316
100 2XBP ATP 0.001224 0.4093 5.30973
101 1GXU 2HP 0.0001101 0.44334 5.49451
102 3TA2 AKG 0.0002923 0.40764 5.9322
103 1EXB NDP 0.000003809 0.50984 6.01504
104 3EAU PDN 0.00001043 0.50001 6.01504
105 3EAU NDP 0.00001043 0.50001 6.01504
106 2C9O ADP 0.00001801 0.48569 6.01504
107 4JP3 CIT 0.000004102 0.46807 6.01504
108 4LTN NAI 0.00002562 0.46337 6.01504
109 4LTN FMN 0.00001803 0.46337 6.01504
110 1F8F NAD 0.00004675 0.46138 6.01504
111 1LGT BP3 0.0005011 0.46074 6.01504
112 3UC5 ATP 0.0000925 0.45464 6.01504
113 3K37 BCZ 0.0003183 0.44845 6.01504
114 3SUC ATP 0.00009102 0.43553 6.01504
115 1Z44 NPO 0.03196 0.43312 6.01504
116 3A8U PLP 0.00003385 0.42049 6.01504
117 4MOB COA 0.0003376 0.41835 6.01504
118 4I9A NCN 0.0001331 0.41742 6.01504
119 1G6O ADP 0.001125 0.41713 6.01504
120 1IZC PYR 0.00008263 0.40384 6.01504
121 4AP9 1PS 0.00003433 0.40379 6.01504
122 1JCM 137 0.0004216 0.40308 6.01504
123 4IEN COA 0.0007074 0.40304 6.01504
124 1A5Z NAD 0.02342 0.40277 6.01504
125 1I0S FMN 0.02482 0.40149 6.01504
126 1I0S NAP 0.03381 0.40149 6.01504
127 2NSJ C2R 0.0001066 0.46157 6.50888
128 1RP0 AHZ 0.000005029 0.50408 6.76692
129 1D7O TCL 0.00002858 0.48663 6.76692
130 1D7O NAD 0.00002858 0.48663 6.76692
131 1ME8 RVP 0.00003304 0.48306 6.76692
132 2IMP NAI 0.00007508 0.471 6.76692
133 4TMK T5A 0.0003819 0.46087 6.76692
134 1TV5 ORO 0.000176 0.45773 6.76692
135 4F8L GAL 0.01488 0.45219 6.76692
136 2X61 NGA GAL SIA 0.0001291 0.44907 6.76692
137 4GQB 0XU 0.0001777 0.44094 6.76692
138 2X61 CH 0.00007767 0.4389 6.76692
139 2H6B 3C4 0.000329 0.43423 6.76692
140 2P8B NSK 0.002202 0.4325 6.76692
141 2WLT ASP 0.00005824 0.42771 6.76692
142 1TV5 N8E 0.00145 0.41763 6.76692
143 1TV5 A26 0.000663 0.41763 6.76692
144 3AIQ HBO 0.0007334 0.41473 6.76692
145 16PK BIS 0.04267 0.40937 6.76692
146 2CDU ADP 0.01822 0.40144 6.76692
147 2BLE 5GP 0.000002573 0.506 7.5188
148 1V8K ANP 0.000003815 0.46543 7.5188
149 3OIG NAD 0.0001498 0.44873 7.5188
150 1V1A ADP 0.00001184 0.44754 7.5188
151 2FWP CIT 0.00001759 0.44616 7.5188
152 1DRV A3D 0.00009279 0.44585 7.5188
153 3ZPG 5GP 0.01321 0.43874 7.5188
154 3OIG IMJ 0.0001414 0.42291 7.5188
155 2QS8 MET 0.00009621 0.42147 7.5188
156 2QIA U20 0.001598 0.411 7.5188
157 3ZLB ANP 0.02458 0.40171 7.5188
158 1ZK4 NAP 0.00009583 0.46741 8.27068
159 1ZK4 AC0 0.00009583 0.46741 8.27068
160 3O03 NAP 0.00009542 0.4533 8.27068
161 4A8T PAO 0.0001998 0.44633 8.27068
162 4TSK NDP 0.0002872 0.43787 8.27068
163 1USF FMN 0.008671 0.43208 8.27068
164 1USF NAP 0.0103 0.43208 8.27068
165 1G7V PAI 0.0001456 0.43064 8.27068
166 3NJQ NJQ 0.00004908 0.42484 8.27068
167 2A0W DIH 0.0002136 0.41836 8.27068
168 4QN7 G39 0.0004841 0.40989 8.27068
169 3HU3 AGS 0.003139 0.40726 8.27068
170 1DXY NAD 0.00001703 0.4998 9.02256
171 4IVG ANP 0.00000262 0.49687 9.02256
172 1LTH NAD 0.00003087 0.46513 9.02256
173 2BNF UTP 0.00002773 0.45109 9.02256
174 1OMZ UD2 0.00006558 0.44607 9.02256
175 2BNE U5P 0.00004588 0.43804 9.02256
176 2Z5Y HRM 0.00003952 0.43254 9.02256
177 4Q3S X7A 0.0006132 0.41323 9.02256
178 4IAE 1DX 0.001499 0.41189 9.02256
179 3VKX T3 0.00007667 0.40067 9.02256
180 2XD9 XD9 0.0008342 0.45679 9.77444
181 1WKL ATP 0.0001233 0.44502 9.77444
182 1WKL ADP 0.0003345 0.42201 9.77444
183 2GGH NLQ 0.0001951 0.42161 9.77444
184 4B7J G39 0.0008078 0.40068 9.77444
185 4DA6 GA2 0.0000132 0.47897 10.5263
186 2RDT FMN 0.0002014 0.44106 10.5263
187 2ET1 GLV 0.00007316 0.43839 10.5263
188 2RDT 2RD 0.0005532 0.43489 10.5263
189 2ED4 FAD 0.00963 0.42973 10.5263
190 4MWV BCZ 0.0002549 0.42078 10.5263
191 4JEJ 1GP 0.01201 0.4041 10.5263
192 2GN2 C5P 0.00002009 0.40251 10.5263
193 2E1A MSE 0.001972 0.44023 10.6667
194 3CXO 1N5 0.000005901 0.45993 11.2782
195 2Q6K ADN 0.0002773 0.44842 11.2782
196 3CXO 3LR 0.000317 0.40663 11.2782
197 3Q3C NAD 0.0001161 0.44682 12.0301
198 3D2M COA 0.0007667 0.44577 12.0301
199 2BJU IH4 0.009328 0.43045 12.0301
200 2WL9 MBD 0.00007343 0.41187 12.0301
201 4CMF PXG 0.00002127 0.46813 12.782
202 4A3R CIT 0.00007647 0.43369 12.782
203 1I9G SAM 0.00000236 0.49329 13.5338
204 1R0X ATP 0.000007388 0.46057 13.5338
205 3C2O NTM 0.003827 0.41845 13.5338
206 3FSJ D7K 0.003929 0.40804 13.5338
207 1JA9 NDP 0.000001333 0.52322 14.2857
208 1YOE RIB 0.00000437 0.45994 14.2857
209 2NCD ADP 0.001309 0.45985 14.2857
210 1JA9 PYQ 0.00001019 0.4494 14.2857
211 3FPZ AHZ 0.0004139 0.4459 14.2857
212 3VGL BGC 0.00002273 0.43942 14.2857
213 3K9W 4PS 0.001094 0.43884 14.2857
214 3K9W ADE 0.001094 0.43884 14.2857
215 3VGL ANP 0.0001294 0.42961 14.2857
216 2Q1A 2KT 0.00005069 0.40893 14.2857
217 3CKZ ZMR 0.0001822 0.43008 15.0376
218 3O9L LPN 0.01961 0.42677 15.0376
219 2BTO GTP 0.0002793 0.42084 15.7407
220 4G1V FAD 0.0001607 0.46782 15.7895
221 1HV9 UD1 0.00007123 0.43012 15.7895
222 4FUA PGH 0.000073 0.41904 15.7895
223 1HV9 COA 0.0008033 0.415 15.7895
224 3E1T FAD 0.04457 0.40998 15.7895
225 2V3A FAD 0.04162 0.40732 15.7895
226 1FWY UD1 0.0006459 0.40216 15.7895
227 3MMR ABH 0.000008054 0.48585 16.5414
228 4C25 13P 0.00008578 0.42289 16.5414
229 3CL7 HYN 0.00004462 0.41656 16.5414
230 2F2U M77 0.003891 0.42292 17.2932
231 1RY2 AMP 0.0001188 0.41036 17.2932
232 3PLN U5P 0.006391 0.42364 18.0451
233 4HE2 AMP 0.00000374 0.46568 18.797
234 1K97 CIR 0.00007861 0.47169 20
235 1K97 ASP 0.00007861 0.47169 20
236 3MAG 3MA 0.002519 0.48557 20.3008
237 3UXL CFI 0.00009189 0.47326 20.3008
238 3KPE TM3 0.003408 0.44734 20.5128
239 4QN6 LNV 0.0001311 0.42945 23.3083
240 2BJK NAD 0.0004677 0.42802 23.3083
241 3Q2I HP7 0.002874 0.40852 23.3083
242 2Z9V PXM 0.001751 0.44808 24.0602
243 1E8G FAD 0.0009325 0.44074 25
244 1E8G FCR 0.001719 0.43049 25
245 4OE4 NAD 0.0002645 0.41124 25
246 1J2Z SOG 0.0001547 0.43568 27.8195
247 1AL8 DHP 0.00000717 0.49538 30
248 1AL8 FMN 0.000002919 0.49538 30
249 1LDM NAD 0.00003903 0.47122 30
250 1JQ5 NAD 0.0003312 0.46896 30
251 2OWZ F6P 0.00004563 0.44591 30
252 4OYA 1VE 0.002938 0.42535 30
253 2OWZ CIT 0.00001819 0.42314 30
254 1PJ6 FOL 0.0006983 0.41436 30
255 3FS8 ACO 0.008101 0.40421 30
256 3FS8 TDR 0.007172 0.40198 30
257 3R51 MMA 0.00003832 0.43115 34.5865
258 1P4C FMN 0.00002357 0.48014 35
259 1CR1 TTP 0.001475 0.42217 35
260 1V6A TRE 0.01088 0.41853 35
261 1D6H COA 0.03618 0.41494 35
262 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.004299 0.42569 37.3984
263 2GUC MAN 0.000008998 0.55721 37.7049
264 2HYQ MAN MAN 0.000003338 0.46354 37.7049
265 2HYR BGC GLC 0.000008551 0.43101 37.7049
266 2GUD MAN 0.00001031 0.42855 37.7049
267 2NU5 NAG 0.00001126 0.42771 37.7049
268 2NUO BGC 0.000018 0.42187 37.7049
269 2NLI LAC 0.00001527 0.47268 40
270 2NLI FMN 0.00001527 0.47268 40
271 1SAY PYR 0.001328 0.44424 40
272 3NOJ PYR 0.00001486 0.4354 40
273 2R7K AMZ 0.003047 0.42336 40
274 2R7K ACP 0.003047 0.42336 40
275 1JQN DCO 0.000109 0.40338 40
276 3VY6 BGC BGC 0.00003493 0.41457 40.6015
277 1T26 NAI 0.0003366 0.45611 45
278 1T26 GBD 0.0003366 0.45611 45
279 4CTA ATP 0.01333 0.41825 45
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